digraph G {
	rankdir=LR
	node [shape=box]
	"1 | NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3nnco3)C[C@H]2CS1" [color=lightblue shape=box style=filled]
	1 [color=lightblue shape=rarrow style=filled]
	"1 | NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3nnco3)C[C@H]2CS1" -> 1 [label=0.000]
	2 [color=aquamarine shape=rarrow style=filled]
	"1 | NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3nnco3)C[C@H]2CS1" -> 2 [label=0.000]
	3 [color=aquamarine shape=rarrow style=filled]
	"1 | NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3nnco3)C[C@H]2CS1" -> 3 [label=0.000]
	4 [color=aquamarine shape=rarrow style=filled]
	"1 | NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3nnco3)C[C@H]2CS1" -> 4 [label=0.000]
	5 [color=aquamarine shape=rarrow style=filled]
	"1 | NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3nnco3)C[C@H]2CS1" -> 5 [label=0.000]
	6 [color=aquamarine shape=rarrow style=filled]
	"1 | NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3nnco3)C[C@H]2CS1" -> 6 [label=0.000]
	7 [color=aquamarine shape=rarrow style=filled]
	"1 | NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3nnco3)C[C@H]2CS1" -> 7 [label=0.000]
	8 [color=aquamarine shape=rarrow style=filled]
	"1 | NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3nnco3)C[C@H]2CS1" -> 8 [label=0.000]
	9 [color=aquamarine shape=rarrow style=filled]
	"1 | NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3nnco3)C[C@H]2CS1" -> 9 [label=0.000]
	10 [color=aquamarine shape=rarrow style=filled]
	"1 | NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3nnco3)C[C@H]2CS1" -> 10 [label=0.000]
	"2 | Fc1ccc(Br)c(F)c1" [color=lightyellow shape=box style=filled]
	1 -> "2 | Fc1ccc(Br)c(F)c1" [label=""]
	"3 | NC1=N[C@H]2CO[C@@H](c3nnco3)C[C@H]2CS1" [color=lightblue shape=box style=filled]
	1 -> "3 | NC1=N[C@H]2CO[C@@H](c3nnco3)C[C@H]2CS1" [label=""]
	"4 | Brc1nnco1" [color=lightyellow shape=box style=filled]
	2 -> "4 | Brc1nnco1" [label=""]
	"5 | NC1=N[C@@]2(c3ccc(F)cc3F)COCC[C@H]2CS1" [color=aquamarine shape=box style=filled]
	2 -> "5 | NC1=N[C@@]2(c3ccc(F)cc3F)COCC[C@H]2CS1" [label=""]
	"6 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CC(=O)c2nnco2)CS1" [color=aquamarine shape=box style=filled]
	3 -> "6 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CC(=O)c2nnco2)CS1" [label=""]
	"7 | CC(C)(C)OC(=O)NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CCc2nnco2)CS1" [color=aquamarine shape=box style=filled]
	4 -> "7 | CC(C)(C)OC(=O)NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CCc2nnco2)CS1" [label=""]
	"8 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](C[C@H](O)c2nnco2)CS1" [color=aquamarine shape=box style=filled]
	5 -> "8 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](C[C@H](O)c2nnco2)CS1" [label=""]
	"9 | OB(O)c1ccc(F)cc1F" [color=lightyellow shape=box style=filled]
	6 -> "9 | OB(O)c1ccc(F)cc1F" [label=""]
	"10 | NC1=N[C@H]2CO[C@@H](c3nnco3)C[C@H]2CS1" [color=aquamarine shape=box style=filled]
	6 -> "10 | NC1=N[C@H]2CO[C@@H](c3nnco3)C[C@H]2CS1" [label=""]
	"11 | Brc1nnco1" [color=lightyellow shape=box style=filled]
	7 -> "11 | Brc1nnco1" [label=""]
	"12 | CC[C@H]1CSC(N)=N[C@]1(CO)c1ccc(F)cc1F" [color=aquamarine shape=box style=filled]
	7 -> "12 | CC[C@H]1CSC(N)=N[C@]1(CO)c1ccc(F)cc1F" [label=""]
	"13 | Cc1nnco1" [color=lightyellow shape=box style=filled]
	8 -> "13 | Cc1nnco1" [label=""]
	"14 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](C=O)CS1" [color=aquamarine shape=box style=filled]
	8 -> "14 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](C=O)CS1" [label=""]
	"15 | N=C(N)SCCC[C@@H](OCC(=O)c1ccc(F)cc1F)c1nnco1" [color=aquamarine shape=box style=filled]
	9 -> "15 | N=C(N)SCCC[C@@H](OCC(=O)c1ccc(F)cc1F)c1nnco1" [label=""]
	"16 | N=C(N)SCCC[C@@H](OC[C@H](O)c1ccc(F)cc1F)c1nnco1" [color=aquamarine shape=box style=filled]
	10 -> "16 | N=C(N)SCCC[C@@H](OC[C@H](O)c1ccc(F)cc1F)c1nnco1" [label=""]
	11 [color=aquamarine shape=rarrow style=filled]
	"3 | NC1=N[C@H]2CO[C@@H](c3nnco3)C[C@H]2CS1" -> 11 [label=0.000]
	12 [color=aquamarine shape=rarrow style=filled]
	"3 | NC1=N[C@H]2CO[C@@H](c3nnco3)C[C@H]2CS1" -> 12 [label=0.000]
	13 [color=lightblue shape=rarrow style=filled]
	"3 | NC1=N[C@H]2CO[C@@H](c3nnco3)C[C@H]2CS1" -> 13 [label=0.000]
	14 [color=aquamarine shape=rarrow style=filled]
	"3 | NC1=N[C@H]2CO[C@@H](c3nnco3)C[C@H]2CS1" -> 14 [label=0.000]
	15 [color=aquamarine shape=rarrow style=filled]
	"3 | NC1=N[C@H]2CO[C@@H](c3nnco3)C[C@H]2CS1" -> 15 [label=0.000]
	16 [color=aquamarine shape=rarrow style=filled]
	"3 | NC1=N[C@H]2CO[C@@H](c3nnco3)C[C@H]2CS1" -> 16 [label=0.000]
	17 [color=aquamarine shape=rarrow style=filled]
	"3 | NC1=N[C@H]2CO[C@@H](c3nnco3)C[C@H]2CS1" -> 17 [label=0.000]
	18 [color=aquamarine shape=rarrow style=filled]
	"3 | NC1=N[C@H]2CO[C@@H](c3nnco3)C[C@H]2CS1" -> 18 [label=0.000]
	19 [color=aquamarine shape=rarrow style=filled]
	"3 | NC1=N[C@H]2CO[C@@H](c3nnco3)C[C@H]2CS1" -> 19 [label=0.000]
	20 [color=aquamarine shape=rarrow style=filled]
	"3 | NC1=N[C@H]2CO[C@@H](c3nnco3)C[C@H]2CS1" -> 20 [label=0.000]
	21 [color=aquamarine shape=rarrow style=filled]
	"5 | NC1=N[C@@]2(c3ccc(F)cc3F)COCC[C@H]2CS1" -> 21 [label=0.000]
	22 [color=aquamarine shape=rarrow style=filled]
	"5 | NC1=N[C@@]2(c3ccc(F)cc3F)COCC[C@H]2CS1" -> 22 [label=0.000]
	23 [color=aquamarine shape=rarrow style=filled]
	"5 | NC1=N[C@@]2(c3ccc(F)cc3F)COCC[C@H]2CS1" -> 23 [label=0.000]
	24 [color=aquamarine shape=rarrow style=filled]
	"5 | NC1=N[C@@]2(c3ccc(F)cc3F)COCC[C@H]2CS1" -> 24 [label=0.000]
	25 [color=aquamarine shape=rarrow style=filled]
	"5 | NC1=N[C@@]2(c3ccc(F)cc3F)COCC[C@H]2CS1" -> 25 [label=0.000]
	26 [color=aquamarine shape=rarrow style=filled]
	"5 | NC1=N[C@@]2(c3ccc(F)cc3F)COCC[C@H]2CS1" -> 26 [label=0.000]
	27 [color=aquamarine shape=rarrow style=filled]
	"5 | NC1=N[C@@]2(c3ccc(F)cc3F)COCC[C@H]2CS1" -> 27 [label=0.000]
	28 [color=aquamarine shape=rarrow style=filled]
	"5 | NC1=N[C@@]2(c3ccc(F)cc3F)COCC[C@H]2CS1" -> 28 [label=0.000]
	29 [color=aquamarine shape=rarrow style=filled]
	"5 | NC1=N[C@@]2(c3ccc(F)cc3F)COCC[C@H]2CS1" -> 29 [label=0.000]
	30 [color=aquamarine shape=rarrow style=filled]
	"6 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CC(=O)c2nnco2)CS1" -> 30 [label=0.000]
	31 [color=aquamarine shape=rarrow style=filled]
	"6 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CC(=O)c2nnco2)CS1" -> 31 [label=0.000]
	32 [color=aquamarine shape=rarrow style=filled]
	"6 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CC(=O)c2nnco2)CS1" -> 32 [label=0.000]
	33 [color=aquamarine shape=rarrow style=filled]
	"6 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CC(=O)c2nnco2)CS1" -> 33 [label=0.000]
	34 [color=aquamarine shape=rarrow style=filled]
	"6 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CC(=O)c2nnco2)CS1" -> 34 [label=0.000]
	35 [color=aquamarine shape=rarrow style=filled]
	"6 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CC(=O)c2nnco2)CS1" -> 35 [label=0.000]
	36 [color=aquamarine shape=rarrow style=filled]
	"6 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CC(=O)c2nnco2)CS1" -> 36 [label=0.000]
	37 [color=aquamarine shape=rarrow style=filled]
	"6 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CC(=O)c2nnco2)CS1" -> 37 [label=0.000]
	38 [color=aquamarine shape=rarrow style=filled]
	"6 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CC(=O)c2nnco2)CS1" -> 38 [label=0.000]
	39 [color=aquamarine shape=rarrow style=filled]
	"6 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CC(=O)c2nnco2)CS1" -> 39 [label=0.000]
	40 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CCc2nnco2)CS1" -> 40 [label=0.000]
	41 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CCc2nnco2)CS1" -> 41 [label=0.000]
	42 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CCc2nnco2)CS1" -> 42 [label=0.000]
	43 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CCc2nnco2)CS1" -> 43 [label=0.000]
	44 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CCc2nnco2)CS1" -> 44 [label=0.000]
	45 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CCc2nnco2)CS1" -> 45 [label=0.000]
	46 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CCc2nnco2)CS1" -> 46 [label=0.000]
	47 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CCc2nnco2)CS1" -> 47 [label=0.000]
	48 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CCc2nnco2)CS1" -> 48 [label=0.000]
	49 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CCc2nnco2)CS1" -> 49 [label=0.000]
	50 [color=aquamarine shape=rarrow style=filled]
	"8 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](C[C@H](O)c2nnco2)CS1" -> 50 [label=0.000]
	51 [color=aquamarine shape=rarrow style=filled]
	"8 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](C[C@H](O)c2nnco2)CS1" -> 51 [label=0.000]
	52 [color=aquamarine shape=rarrow style=filled]
	"8 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](C[C@H](O)c2nnco2)CS1" -> 52 [label=0.000]
	53 [color=aquamarine shape=rarrow style=filled]
	"8 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](C[C@H](O)c2nnco2)CS1" -> 53 [label=0.000]
	54 [color=aquamarine shape=rarrow style=filled]
	"8 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](C[C@H](O)c2nnco2)CS1" -> 54 [label=0.000]
	55 [color=aquamarine shape=rarrow style=filled]
	"8 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](C[C@H](O)c2nnco2)CS1" -> 55 [label=0.000]
	56 [color=aquamarine shape=rarrow style=filled]
	"8 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](C[C@H](O)c2nnco2)CS1" -> 56 [label=0.000]
	57 [color=aquamarine shape=rarrow style=filled]
	"8 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](C[C@H](O)c2nnco2)CS1" -> 57 [label=0.000]
	58 [color=aquamarine shape=rarrow style=filled]
	"8 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](C[C@H](O)c2nnco2)CS1" -> 58 [label=0.000]
	59 [color=aquamarine shape=rarrow style=filled]
	"8 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](C[C@H](O)c2nnco2)CS1" -> 59 [label=0.000]
	60 [color=aquamarine shape=rarrow style=filled]
	"10 | NC1=N[C@H]2CO[C@@H](c3nnco3)C[C@H]2CS1" -> 60 [label=0.000]
	61 [color=aquamarine shape=rarrow style=filled]
	"10 | NC1=N[C@H]2CO[C@@H](c3nnco3)C[C@H]2CS1" -> 61 [label=0.000]
	62 [color=aquamarine shape=rarrow style=filled]
	"10 | NC1=N[C@H]2CO[C@@H](c3nnco3)C[C@H]2CS1" -> 62 [label=0.000]
	63 [color=aquamarine shape=rarrow style=filled]
	"10 | NC1=N[C@H]2CO[C@@H](c3nnco3)C[C@H]2CS1" -> 63 [label=0.000]
	64 [color=aquamarine shape=rarrow style=filled]
	"10 | NC1=N[C@H]2CO[C@@H](c3nnco3)C[C@H]2CS1" -> 64 [label=0.000]
	65 [color=aquamarine shape=rarrow style=filled]
	"10 | NC1=N[C@H]2CO[C@@H](c3nnco3)C[C@H]2CS1" -> 65 [label=0.000]
	66 [color=aquamarine shape=rarrow style=filled]
	"10 | NC1=N[C@H]2CO[C@@H](c3nnco3)C[C@H]2CS1" -> 66 [label=0.000]
	67 [color=aquamarine shape=rarrow style=filled]
	"10 | NC1=N[C@H]2CO[C@@H](c3nnco3)C[C@H]2CS1" -> 67 [label=0.000]
	68 [color=aquamarine shape=rarrow style=filled]
	"10 | NC1=N[C@H]2CO[C@@H](c3nnco3)C[C@H]2CS1" -> 68 [label=0.000]
	69 [color=aquamarine shape=rarrow style=filled]
	"10 | NC1=N[C@H]2CO[C@@H](c3nnco3)C[C@H]2CS1" -> 69 [label=0.000]
	70 [color=aquamarine shape=rarrow style=filled]
	"12 | CC[C@H]1CSC(N)=N[C@]1(CO)c1ccc(F)cc1F" -> 70 [label=0.000]
	71 [color=aquamarine shape=rarrow style=filled]
	"12 | CC[C@H]1CSC(N)=N[C@]1(CO)c1ccc(F)cc1F" -> 71 [label=0.000]
	72 [color=aquamarine shape=rarrow style=filled]
	"12 | CC[C@H]1CSC(N)=N[C@]1(CO)c1ccc(F)cc1F" -> 72 [label=0.000]
	73 [color=aquamarine shape=rarrow style=filled]
	"12 | CC[C@H]1CSC(N)=N[C@]1(CO)c1ccc(F)cc1F" -> 73 [label=0.000]
	74 [color=aquamarine shape=rarrow style=filled]
	"12 | CC[C@H]1CSC(N)=N[C@]1(CO)c1ccc(F)cc1F" -> 74 [label=0.000]
	75 [color=aquamarine shape=rarrow style=filled]
	"12 | CC[C@H]1CSC(N)=N[C@]1(CO)c1ccc(F)cc1F" -> 75 [label=0.000]
	76 [color=aquamarine shape=rarrow style=filled]
	"12 | CC[C@H]1CSC(N)=N[C@]1(CO)c1ccc(F)cc1F" -> 76 [label=0.000]
	77 [color=aquamarine shape=rarrow style=filled]
	"12 | CC[C@H]1CSC(N)=N[C@]1(CO)c1ccc(F)cc1F" -> 77 [label=0.000]
	78 [color=aquamarine shape=rarrow style=filled]
	"12 | CC[C@H]1CSC(N)=N[C@]1(CO)c1ccc(F)cc1F" -> 78 [label=0.000]
	79 [color=aquamarine shape=rarrow style=filled]
	"14 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](C=O)CS1" -> 79 [label=0.000]
	80 [color=aquamarine shape=rarrow style=filled]
	"14 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](C=O)CS1" -> 80 [label=0.000]
	81 [color=aquamarine shape=rarrow style=filled]
	"14 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](C=O)CS1" -> 81 [label=0.000]
	82 [color=aquamarine shape=rarrow style=filled]
	"14 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](C=O)CS1" -> 82 [label=0.000]
	83 [color=aquamarine shape=rarrow style=filled]
	"14 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](C=O)CS1" -> 83 [label=0.000]
	84 [color=aquamarine shape=rarrow style=filled]
	"14 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](C=O)CS1" -> 84 [label=0.000]
	85 [color=aquamarine shape=rarrow style=filled]
	"14 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](C=O)CS1" -> 85 [label=0.000]
	86 [color=aquamarine shape=rarrow style=filled]
	"14 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](C=O)CS1" -> 86 [label=0.000]
	87 [color=aquamarine shape=rarrow style=filled]
	"14 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](C=O)CS1" -> 87 [label=0.000]
	88 [color=aquamarine shape=rarrow style=filled]
	"14 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](C=O)CS1" -> 88 [label=0.000]
	89 [color=aquamarine shape=rarrow style=filled]
	"15 | N=C(N)SCCC[C@@H](OCC(=O)c1ccc(F)cc1F)c1nnco1" -> 89 [label=0.000]
	90 [color=aquamarine shape=rarrow style=filled]
	"15 | N=C(N)SCCC[C@@H](OCC(=O)c1ccc(F)cc1F)c1nnco1" -> 90 [label=0.000]
	91 [color=aquamarine shape=rarrow style=filled]
	"15 | N=C(N)SCCC[C@@H](OCC(=O)c1ccc(F)cc1F)c1nnco1" -> 91 [label=0.000]
	92 [color=aquamarine shape=rarrow style=filled]
	"15 | N=C(N)SCCC[C@@H](OCC(=O)c1ccc(F)cc1F)c1nnco1" -> 92 [label=0.000]
	93 [color=aquamarine shape=rarrow style=filled]
	"15 | N=C(N)SCCC[C@@H](OCC(=O)c1ccc(F)cc1F)c1nnco1" -> 93 [label=0.000]
	94 [color=aquamarine shape=rarrow style=filled]
	"15 | N=C(N)SCCC[C@@H](OCC(=O)c1ccc(F)cc1F)c1nnco1" -> 94 [label=0.000]
	95 [color=aquamarine shape=rarrow style=filled]
	"15 | N=C(N)SCCC[C@@H](OCC(=O)c1ccc(F)cc1F)c1nnco1" -> 95 [label=0.000]
	96 [color=aquamarine shape=rarrow style=filled]
	"15 | N=C(N)SCCC[C@@H](OCC(=O)c1ccc(F)cc1F)c1nnco1" -> 96 [label=0.000]
	97 [color=aquamarine shape=rarrow style=filled]
	"15 | N=C(N)SCCC[C@@H](OCC(=O)c1ccc(F)cc1F)c1nnco1" -> 97 [label=0.000]
	98 [color=aquamarine shape=rarrow style=filled]
	"15 | N=C(N)SCCC[C@@H](OCC(=O)c1ccc(F)cc1F)c1nnco1" -> 98 [label=0.000]
	99 [color=aquamarine shape=rarrow style=filled]
	"16 | N=C(N)SCCC[C@@H](OC[C@H](O)c1ccc(F)cc1F)c1nnco1" -> 99 [label=0.000]
	100 [color=aquamarine shape=rarrow style=filled]
	"16 | N=C(N)SCCC[C@@H](OC[C@H](O)c1ccc(F)cc1F)c1nnco1" -> 100 [label=0.000]
	101 [color=aquamarine shape=rarrow style=filled]
	"16 | N=C(N)SCCC[C@@H](OC[C@H](O)c1ccc(F)cc1F)c1nnco1" -> 101 [label=0.000]
	102 [color=aquamarine shape=rarrow style=filled]
	"16 | N=C(N)SCCC[C@@H](OC[C@H](O)c1ccc(F)cc1F)c1nnco1" -> 102 [label=0.000]
	103 [color=aquamarine shape=rarrow style=filled]
	"16 | N=C(N)SCCC[C@@H](OC[C@H](O)c1ccc(F)cc1F)c1nnco1" -> 103 [label=0.000]
	104 [color=aquamarine shape=rarrow style=filled]
	"16 | N=C(N)SCCC[C@@H](OC[C@H](O)c1ccc(F)cc1F)c1nnco1" -> 104 [label=0.000]
	105 [color=aquamarine shape=rarrow style=filled]
	"16 | N=C(N)SCCC[C@@H](OC[C@H](O)c1ccc(F)cc1F)c1nnco1" -> 105 [label=0.000]
	106 [color=aquamarine shape=rarrow style=filled]
	"16 | N=C(N)SCCC[C@@H](OC[C@H](O)c1ccc(F)cc1F)c1nnco1" -> 106 [label=0.000]
	107 [color=aquamarine shape=rarrow style=filled]
	"16 | N=C(N)SCCC[C@@H](OC[C@H](O)c1ccc(F)cc1F)c1nnco1" -> 107 [label=0.000]
	108 [color=aquamarine shape=rarrow style=filled]
	"16 | N=C(N)SCCC[C@@H](OC[C@H](O)c1ccc(F)cc1F)c1nnco1" -> 108 [label=0.000]
	"17 | NC1=N[C@@H](CO)[C@@H](CC(=O)c2nnco2)CS1" [color=aquamarine shape=box style=filled]
	11 -> "17 | NC1=N[C@@H](CO)[C@@H](CC(=O)c2nnco2)CS1" [label=""]
	"18 | NC1=N[C@@H](CO)[C@@H](C[C@H](O)c2nnco2)CS1" [color=aquamarine shape=box style=filled]
	12 -> "18 | NC1=N[C@@H](CO)[C@@H](C[C@H](O)c2nnco2)CS1" [label=""]
	"19 | Brc1nnco1" [color=lightyellow shape=box style=filled]
	13 -> "19 | Brc1nnco1" [label=""]
	"20 | NC1=N[C@H]2COCC[C@H]2CS1" [color=lightblue shape=box style=filled]
	13 -> "20 | NC1=N[C@H]2COCC[C@H]2CS1" [label=""]
	"21 | CC(C)(C)OC(=O)NC1=N[C@@H](CO)[C@@H](CCc2nnco2)CS1" [color=lightgrey shape=box style=filled]
	14 -> "21 | CC(C)(C)OC(=O)NC1=N[C@@H](CO)[C@@H](CCc2nnco2)CS1" [label=""]
	"22 | NC1=N[C@@H](CO)[C@@H](C=Cc2nnco2)CS1" [color=lightgrey shape=box style=filled]
	15 -> "22 | NC1=N[C@@H](CO)[C@@H](C=Cc2nnco2)CS1" [label=""]
	"23 | Brc1nnco1" [color=lightyellow shape=box style=filled]
	16 -> "23 | Brc1nnco1" [label=""]
	"24 | CC[C@H]1CSC(N)=N[C@H]1CO" [color=lightgrey shape=box style=filled]
	16 -> "24 | CC[C@H]1CSC(N)=N[C@H]1CO" [label=""]
	"25 | NC1=N[C@H]2CO[C@@H](C(=O)O)C[C@H]2CS1" [color=lightgrey shape=box style=filled]
	17 -> "25 | NC1=N[C@H]2CO[C@@H](C(=O)O)C[C@H]2CS1" [label=""]
	"26 | NN=CO" [color=lightgrey shape=box style=filled]
	17 -> "26 | NN=CO" [label=""]
	"27 | NC1=N[C@@H](CO)[C@@H](C[C@@H](O)c2nnco2)CS1" [color=lightgrey shape=box style=filled]
	18 -> "27 | NC1=N[C@@H](CO)[C@@H](C[C@@H](O)c2nnco2)CS1" [label=""]
	"28 | NC(S)=N[C@H]1CO[C@@H](c2nnco2)C[C@H]1CO" [color=lightgrey shape=box style=filled]
	19 -> "28 | NC(S)=N[C@H]1CO[C@@H](c2nnco2)C[C@H]1CO" [label=""]
	"29 | Brc1nnco1" [color=lightyellow shape=box style=filled]
	20 -> "29 | Brc1nnco1" [label=""]
	"30 | NC1=N[C@H]2COC(=O)C[C@H]2CS1" [color=lightgrey shape=box style=filled]
	20 -> "30 | NC1=N[C@H]2COC(=O)C[C@H]2CS1" [label=""]
	"31 | NC1=N[C@H]2COCC[C@H]2CS1" [color=lightgrey shape=box style=filled]
	21 -> "31 | NC1=N[C@H]2COCC[C@H]2CS1" [label=""]
	"32 | Fc1ccc(Br)c(F)c1" [color=lightyellow shape=box style=filled]
	21 -> "32 | Fc1ccc(Br)c(F)c1" [label=""]
	"33 | OB(O)c1ccc(F)cc1F" [color=lightyellow shape=box style=filled]
	22 -> "33 | OB(O)c1ccc(F)cc1F" [label=""]
	"34 | NC1=N[C@H]2COCC[C@H]2CS1" [color=lightgrey shape=box style=filled]
	22 -> "34 | NC1=N[C@H]2COCC[C@H]2CS1" [label=""]
	"35 | N=C(N)S" [color=lightyellow shape=box style=filled]
	23 -> "35 | N=C(N)S" [label=""]
	"36 | O=C[C@@H]1CCOC[C@@H]1c1ccc(F)cc1F" [color=lightgrey shape=box style=filled]
	23 -> "36 | O=C[C@@H]1CCOC[C@@H]1c1ccc(F)cc1F" [label=""]
	"37 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CCBr)CS1" [color=lightgrey shape=box style=filled]
	24 -> "37 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CCBr)CS1" [label=""]
	"38 | N=C(N)SC[C@@H]1CCOC[C@@]1(Cl)c1ccc(F)cc1F" [color=lightgrey shape=box style=filled]
	25 -> "38 | N=C(N)SC[C@@H]1CCOC[C@@]1(Cl)c1ccc(F)cc1F" [label=""]
	"39 | N=C(N)SC[C@@H]1CCOC[C@@]1(Br)c1ccc(F)cc1F" [color=lightgrey shape=box style=filled]
	26 -> "39 | N=C(N)SC[C@@H]1CCOC[C@@]1(Br)c1ccc(F)cc1F" [label=""]
	"40 | NC1=N[C@@H](c2ccc(F)cc2F)COCCC(=O)CS1" [color=lightgrey shape=box style=filled]
	27 -> "40 | NC1=N[C@@H](c2ccc(F)cc2F)COCCC(=O)CS1" [label=""]
	"41 | N=C(N)SC[C@@H]1CCOC[C@@]1(O)c1ccc(F)cc1F" [color=lightgrey shape=box style=filled]
	28 -> "41 | N=C(N)SC[C@@H]1CCOC[C@@]1(O)c1ccc(F)cc1F" [label=""]
	"42 | NC(S)=N[C@@]1(c2ccc(F)cc2F)COCC[C@H]1CO" [color=lightgrey shape=box style=filled]
	29 -> "42 | NC(S)=N[C@@]1(c2ccc(F)cc2F)COCC[C@H]1CO" [label=""]
	"43 | O=C(O)c1nnco1" [color=lightyellow shape=box style=filled]
	30 -> "43 | O=C(O)c1nnco1" [label=""]
	"44 | C[C@H]1CSC(N)=N[C@]1(CO)c1ccc(F)cc1F" [color=lightgrey shape=box style=filled]
	30 -> "44 | C[C@H]1CSC(N)=N[C@]1(CO)c1ccc(F)cc1F" [label=""]
	"45 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CC(=O)O)CS1" [color=lightgrey shape=box style=filled]
	31 -> "45 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CC(=O)O)CS1" [label=""]
	"46 | c1nnco1" [color=lightyellow shape=box style=filled]
	31 -> "46 | c1nnco1" [label=""]
	"47 | NC1=N[C@H](CO)[C@@H](CC(=O)c2nnco2)CS1" [color=lightgrey shape=box style=filled]
	32 -> "47 | NC1=N[C@H](CO)[C@@H](CC(=O)c2nnco2)CS1" [label=""]
	"48 | Fc1ccc(Br)c(F)c1" [color=lightyellow shape=box style=filled]
	32 -> "48 | Fc1ccc(Br)c(F)c1" [label=""]
	"49 | O=C(O)c1nnco1" [color=lightyellow shape=box style=filled]
	33 -> "49 | O=C(O)c1nnco1" [label=""]
	"50 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CO)CS1" [color=lightgrey shape=box style=filled]
	33 -> "50 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CO)CS1" [label=""]
	"51 | NC1=N[C@H](CO)[C@@H](CC(=O)c2nnco2)CS1" [color=lightgrey shape=box style=filled]
	34 -> "51 | NC1=N[C@H](CO)[C@@H](CC(=O)c2nnco2)CS1" [label=""]
	"52 | OB(O)c1ccc(F)cc1F" [color=lightyellow shape=box style=filled]
	34 -> "52 | OB(O)c1ccc(F)cc1F" [label=""]
	"53 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](C=O)CS1" [color=lightgrey shape=box style=filled]
	35 -> "53 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](C=O)CS1" [label=""]
	"54 | O=Cc1nnco1" [color=lightyellow shape=box style=filled]
	35 -> "54 | O=Cc1nnco1" [label=""]
	"55 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CBr)CS1" [color=lightgrey shape=box style=filled]
	36 -> "55 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CBr)CS1" [label=""]
	"56 | O=Cc1nnco1" [color=lightyellow shape=box style=filled]
	36 -> "56 | O=Cc1nnco1" [label=""]
	"57 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CO)CS1" [color=lightgrey shape=box style=filled]
	37 -> "57 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CO)CS1" [label=""]
	"58 | O=Cc1nnco1" [color=lightyellow shape=box style=filled]
	37 -> "58 | O=Cc1nnco1" [label=""]
	"59 | NC1=N[C@H](c2ccc(F)cc2F)[C@@H](CC(=O)c2nnco2)CS1" [color=lightgrey shape=box style=filled]
	38 -> "59 | NC1=N[C@H](c2ccc(F)cc2F)[C@@H](CC(=O)c2nnco2)CS1" [label=""]
	"60 | C=O" [color=lightyellow shape=box style=filled]
	38 -> "60 | C=O" [label=""]
	"61 | O=C(CCl)c1nnco1" [color=lightgrey shape=box style=filled]
	39 -> "61 | O=C(CCl)c1nnco1" [label=""]
	"62 | NC1=N[C@](CO)(c2ccc(F)cc2F)CCS1" [color=lightgrey shape=box style=filled]
	39 -> "62 | NC1=N[C@](CO)(c2ccc(F)cc2F)CCS1" [label=""]
	"63 | Fc1ccc(Br)c(F)c1" [color=lightyellow shape=box style=filled]
	40 -> "63 | Fc1ccc(Br)c(F)c1" [label=""]
	"64 | CC(C)(C)OC(=O)NC1=N[C@H](CO)[C@@H](CCc2nnco2)CS1" [color=lightgrey shape=box style=filled]
	40 -> "64 | CC(C)(C)OC(=O)NC1=N[C@H](CO)[C@@H](CCc2nnco2)CS1" [label=""]
	"65 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	41 -> "65 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [label=""]
	"66 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CCc2nnco2)CS1" [color=lightgrey shape=box style=filled]
	41 -> "66 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CCc2nnco2)CS1" [label=""]
	"67 | CC(C)(C)OC(=O)NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](C=O)CS1" [color=lightgrey shape=box style=filled]
	42 -> "67 | CC(C)(C)OC(=O)NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](C=O)CS1" [label=""]
	"68 | Cc1nnco1" [color=lightyellow shape=box style=filled]
	42 -> "68 | Cc1nnco1" [label=""]
	"69 | Brc1nnco1" [color=lightyellow shape=box style=filled]
	43 -> "69 | Brc1nnco1" [label=""]
	"70 | CC[C@H]1CSC(NC(=O)OC(C)(C)C)=N[C@]1(CO)c1ccc(F)cc1F" [color=lightgrey shape=box style=filled]
	43 -> "70 | CC[C@H]1CSC(NC(=O)OC(C)(C)C)=N[C@]1(CO)c1ccc(F)cc1F" [label=""]
	"71 | OB(O)c1ccc(F)cc1F" [color=lightyellow shape=box style=filled]
	44 -> "71 | OB(O)c1ccc(F)cc1F" [label=""]
	"72 | CC(C)(C)OC(=O)NC1=N[C@H](CO)[C@@H](CCc2nnco2)CS1" [color=lightgrey shape=box style=filled]
	44 -> "72 | CC(C)(C)OC(=O)NC1=N[C@H](CO)[C@@H](CCc2nnco2)CS1" [label=""]
	"73 | C[C@H]1CSC(NC(=O)OC(C)(C)C)=N[C@]1(CO)c1ccc(F)cc1F" [color=lightgrey shape=box style=filled]
	45 -> "73 | C[C@H]1CSC(NC(=O)OC(C)(C)C)=N[C@]1(CO)c1ccc(F)cc1F" [label=""]
	"74 | BrCc1nnco1" [color=lightgrey shape=box style=filled]
	45 -> "74 | BrCc1nnco1" [label=""]
	"75 | OCCc1nnco1" [color=lightgrey shape=box style=filled]
	46 -> "75 | OCCc1nnco1" [label=""]
	"76 | CC(C)(C)OC(=O)NC1=N[C@](CO)(c2ccc(F)cc2F)CCS1" [color=lightgrey shape=box style=filled]
	46 -> "76 | CC(C)(C)OC(=O)NC1=N[C@](CO)(c2ccc(F)cc2F)CCS1" [label=""]
	"77 | CC(C)(C)OC(=O)NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CCBr)CS1" [color=lightgrey shape=box style=filled]
	47 -> "77 | CC(C)(C)OC(=O)NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CCBr)CS1" [label=""]
	"78 | c1nnco1" [color=lightyellow shape=box style=filled]
	47 -> "78 | c1nnco1" [label=""]
	"79 | Cc1nnco1" [color=lightyellow shape=box style=filled]
	48 -> "79 | Cc1nnco1" [label=""]
	"80 | CC(C)(C)OC(=O)NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CO)CS1" [color=lightgrey shape=box style=filled]
	48 -> "80 | CC(C)(C)OC(=O)NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CO)CS1" [label=""]
	"81 | C[C@H]1CSC(NC(=O)OC(C)(C)C)=N[C@]1(CO)c1ccc(F)cc1F" [color=lightgrey shape=box style=filled]
	49 -> "81 | C[C@H]1CSC(NC(=O)OC(C)(C)C)=N[C@]1(CO)c1ccc(F)cc1F" [label=""]
	"82 | ClCc1nnco1" [color=lightyellow shape=box style=filled]
	49 -> "82 | ClCc1nnco1" [label=""]
	"83 | C[C@H]1CSC(N)=N[C@]1(CO)c1ccc(F)cc1F" [color=lightgrey shape=box style=filled]
	50 -> "83 | C[C@H]1CSC(N)=N[C@]1(CO)c1ccc(F)cc1F" [label=""]
	"84 | O=Cc1nnco1" [color=lightyellow shape=box style=filled]
	50 -> "84 | O=Cc1nnco1" [label=""]
	"85 | OCc1nnco1" [color=lightyellow shape=box style=filled]
	51 -> "85 | OCc1nnco1" [label=""]
	"86 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CO)CS1" [color=lightgrey shape=box style=filled]
	51 -> "86 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CO)CS1" [label=""]
	"87 | Fc1ccc(Br)c(F)c1" [color=lightyellow shape=box style=filled]
	52 -> "87 | Fc1ccc(Br)c(F)c1" [label=""]
	"88 | NC1=N[C@H](CO)[C@@H](C[C@H](O)c2nnco2)CS1" [color=lightgrey shape=box style=filled]
	52 -> "88 | NC1=N[C@H](CO)[C@@H](C[C@H](O)c2nnco2)CS1" [label=""]
	"89 | O=C(O)c1nnco1" [color=lightyellow shape=box style=filled]
	53 -> "89 | O=C(O)c1nnco1" [label=""]
	"90 | C[C@H]1CSC(N)=N[C@]1(CO)c1ccc(F)cc1F" [color=lightgrey shape=box style=filled]
	53 -> "90 | C[C@H]1CSC(N)=N[C@]1(CO)c1ccc(F)cc1F" [label=""]
	"91 | OCc1nnco1" [color=lightyellow shape=box style=filled]
	54 -> "91 | OCc1nnco1" [label=""]
	"92 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](C=O)CS1" [color=lightgrey shape=box style=filled]
	54 -> "92 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](C=O)CS1" [label=""]
	"93 | Brc1nnco1" [color=lightyellow shape=box style=filled]
	55 -> "93 | Brc1nnco1" [label=""]
	"94 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CCO)CS1" [color=lightgrey shape=box style=filled]
	55 -> "94 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CCO)CS1" [label=""]
	"95 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CO)CS1" [color=lightgrey shape=box style=filled]
	56 -> "95 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CO)CS1" [label=""]
	"96 | O=Cc1nnco1" [color=lightyellow shape=box style=filled]
	56 -> "96 | O=Cc1nnco1" [label=""]
	"97 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CBr)CS1" [color=lightgrey shape=box style=filled]
	57 -> "97 | NC1=N[C@](CO)(c2ccc(F)cc2F)[C@@H](CBr)CS1" [label=""]
	"98 | OCc1nnco1" [color=lightyellow shape=box style=filled]
	57 -> "98 | OCc1nnco1" [label=""]
	"99 | OC[C@H](O)c1nnco1" [color=lightgrey shape=box style=filled]
	58 -> "99 | OC[C@H](O)c1nnco1" [label=""]
	"100 | NC1=N[C@](CO)(c2ccc(F)cc2F)CCS1" [color=lightgrey shape=box style=filled]
	58 -> "100 | NC1=N[C@](CO)(c2ccc(F)cc2F)CCS1" [label=""]
	"101 | NC1=N[C@H](c2ccc(F)cc2F)[C@@H](C[C@H](O)c2nnco2)CS1" [color=lightgrey shape=box style=filled]
	59 -> "101 | NC1=N[C@H](c2ccc(F)cc2F)[C@@H](C[C@H](O)c2nnco2)CS1" [label=""]
	"102 | C=O" [color=lightyellow shape=box style=filled]
	59 -> "102 | C=O" [label=""]
	"103 | NC1=N[C@@H](CO)[C@@H](CC(=O)c2nnco2)CS1" [color=lightgrey shape=box style=filled]
	60 -> "103 | NC1=N[C@@H](CO)[C@@H](CC(=O)c2nnco2)CS1" [label=""]
	"104 | NC1=N[C@@H](CO)[C@@H](C[C@H](O)c2nnco2)CS1" [color=lightgrey shape=box style=filled]
	61 -> "104 | NC1=N[C@@H](CO)[C@@H](C[C@H](O)c2nnco2)CS1" [label=""]
	"105 | Brc1nnco1" [color=lightyellow shape=box style=filled]
	62 -> "105 | Brc1nnco1" [label=""]
	"106 | NC1=N[C@H]2COCC[C@H]2CS1" [color=lightgrey shape=box style=filled]
	62 -> "106 | NC1=N[C@H]2COCC[C@H]2CS1" [label=""]
	"107 | CC(C)(C)OC(=O)NC1=N[C@@H](CO)[C@@H](CCc2nnco2)CS1" [color=lightgrey shape=box style=filled]
	63 -> "107 | CC(C)(C)OC(=O)NC1=N[C@@H](CO)[C@@H](CCc2nnco2)CS1" [label=""]
	"108 | NC1=N[C@@H](CO)[C@@H](C=Cc2nnco2)CS1" [color=lightgrey shape=box style=filled]
	64 -> "108 | NC1=N[C@@H](CO)[C@@H](C=Cc2nnco2)CS1" [label=""]
	"109 | Brc1nnco1" [color=lightyellow shape=box style=filled]
	65 -> "109 | Brc1nnco1" [label=""]
	"110 | CC[C@H]1CSC(N)=N[C@H]1CO" [color=lightgrey shape=box style=filled]
	65 -> "110 | CC[C@H]1CSC(N)=N[C@H]1CO" [label=""]
	"111 | NC1=N[C@H]2CO[C@@H](C(=O)O)C[C@H]2CS1" [color=lightgrey shape=box style=filled]
	66 -> "111 | NC1=N[C@H]2CO[C@@H](C(=O)O)C[C@H]2CS1" [label=""]
	"112 | NN=CO" [color=lightgrey shape=box style=filled]
	66 -> "112 | NN=CO" [label=""]
	"113 | NC1=N[C@@H](CO)[C@@H](C[C@@H](O)c2nnco2)CS1" [color=lightgrey shape=box style=filled]
	67 -> "113 | NC1=N[C@@H](CO)[C@@H](C[C@@H](O)c2nnco2)CS1" [label=""]
	"114 | NC(S)=N[C@H]1CO[C@@H](c2nnco2)C[C@H]1CO" [color=lightgrey shape=box style=filled]
	68 -> "114 | NC(S)=N[C@H]1CO[C@@H](c2nnco2)C[C@H]1CO" [label=""]
	"115 | Brc1nnco1" [color=lightyellow shape=box style=filled]
	69 -> "115 | Brc1nnco1" [label=""]
	"116 | NC1=N[C@H]2COC(=O)C[C@H]2CS1" [color=lightgrey shape=box style=filled]
	69 -> "116 | NC1=N[C@H]2COC(=O)C[C@H]2CS1" [label=""]
	"117 | CC[C@H]1CSC(N)=N[C@@H]1CO" [color=lightgrey shape=box style=filled]
	70 -> "117 | CC[C@H]1CSC(N)=N[C@@H]1CO" [label=""]
	"118 | Fc1ccc(Br)c(F)c1" [color=lightyellow shape=box style=filled]
	70 -> "118 | Fc1ccc(Br)c(F)c1" [label=""]
	"119 | CC[C@H]1CSC(N)=N[C@@H]1CO" [color=lightgrey shape=box style=filled]
	71 -> "119 | CC[C@H]1CSC(N)=N[C@@H]1CO" [label=""]
	"120 | OB(O)c1ccc(F)cc1F" [color=lightyellow shape=box style=filled]
	71 -> "120 | OB(O)c1ccc(F)cc1F" [label=""]
	"121 | CC[C@@H](CSC(=N)N)[C@](O)(CO)c1ccc(F)cc1F" [color=lightgrey shape=box style=filled]
	72 -> "121 | CC[C@@H](CSC(=N)N)[C@](O)(CO)c1ccc(F)cc1F" [label=""]
	"122 | CC[C@H]1CSC(N)=N[C@@H]1c1ccc(F)cc1F" [color=lightgrey shape=box style=filled]
	73 -> "122 | CC[C@H]1CSC(N)=N[C@@H]1c1ccc(F)cc1F" [label=""]
	"123 | C=O" [color=lightyellow shape=box style=filled]
	73 -> "123 | C=O" [label=""]
	"124 | CCCCSC(=N[C@H](CO)c1ccc(F)cc1F)NCl" [color=lightgrey shape=box style=filled]
	74 -> "124 | CCCCSC(=N[C@H](CO)c1ccc(F)cc1F)NCl" [label=""]
	"125 | NC1=N[C@](CO)(c2ccc(F)cc2F)CCS1" [color=lightgrey shape=box style=filled]
	75 -> "125 | NC1=N[C@](CO)(c2ccc(F)cc2F)CCS1" [label=""]
	"126 | CCI" [color=lightyellow shape=box style=filled]
	75 -> "126 | CCI" [label=""]
	"127 | CCC=CSC(N)=N[C@H](CO)c1ccc(F)cc1F" [color=lightgrey shape=box style=filled]
	76 -> "127 | CCC=CSC(N)=N[C@H](CO)c1ccc(F)cc1F" [label=""]
	"128 | CCC(=O)CSC(N)=N[C@H](CO)c1ccc(F)cc1F" [color=lightgrey shape=box style=filled]
	77 -> "128 | CCC(=O)CSC(N)=N[C@H](CO)c1ccc(F)cc1F" [label=""]
	"129 | O=CO" [color=lightyellow shape=box style=filled]
	78 -> "129 | O=CO" [label=""]
	"130 | CC[C@H]1CSC(N)=N[C@@H]1c1ccc(F)cc1F" [color=lightgrey shape=box style=filled]
	78 -> "130 | CC[C@H]1CSC(N)=N[C@@H]1c1ccc(F)cc1F" [label=""]
	"131 | NC1=N[C@H](CO)[C@@H](C=O)CS1" [color=lightgrey shape=box style=filled]
	79 -> "131 | NC1=N[C@H](CO)[C@@H](C=O)CS1" [label=""]
	"132 | Fc1ccc(Br)c(F)c1" [color=lightyellow shape=box style=filled]
	79 -> "132 | Fc1ccc(Br)c(F)c1" [label=""]
	"133 | O=CO" [color=lightyellow shape=box style=filled]
	80 -> "133 | O=CO" [label=""]
	"134 | NC1=N[C@](CO)(c2ccc(F)cc2F)CCS1" [color=lightgrey shape=box style=filled]
	80 -> "134 | NC1=N[C@](CO)(c2ccc(F)cc2F)CCS1" [label=""]
	"135 | NC1=N[C@H](CO)[C@@H](C=O)CS1" [color=lightgrey shape=box style=filled]
	81 -> "135 | NC1=N[C@H](CO)[C@@H](C=O)CS1" [label=""]
	"136 | OB(O)c1ccc(F)cc1F" [color=lightyellow shape=box style=filled]
	81 -> "136 | OB(O)c1ccc(F)cc1F" [label=""]
	"137 | CN(C)C=O" [color=lightyellow shape=box style=filled]
	82 -> "137 | CN(C)C=O" [label=""]
	"138 | NC1=N[C@](CO)(c2ccc(F)cc2F)CCS1" [color=lightgrey shape=box style=filled]
	82 -> "138 | NC1=N[C@](CO)(c2ccc(F)cc2F)CCS1" [label=""]
	"139 | O=COC(=O)c1cccc(Cl)c1" [color=lightgrey shape=box style=filled]
	83 -> "139 | O=COC(=O)c1cccc(Cl)c1" [label=""]
	"140 | NC1=N[C@](CO)(c2ccc(F)cc2F)CCS1" [color=lightgrey shape=box style=filled]
	83 -> "140 | NC1=N[C@](CO)(c2ccc(F)cc2F)CCS1" [label=""]
	"141 | NC1=N[C@](C(=O)O)(c2ccc(F)cc2F)[C@@H](CO)CS1" [color=lightgrey shape=box style=filled]
	84 -> "141 | NC1=N[C@](C(=O)O)(c2ccc(F)cc2F)[C@@H](CO)CS1" [label=""]
	"142 | NC1=N[C@](C(=O)O)(c2ccc(F)cc2F)CCS1" [color=lightgrey shape=box style=filled]
	85 -> "142 | NC1=N[C@](C(=O)O)(c2ccc(F)cc2F)CCS1" [label=""]
	"143 | C=O" [color=lightyellow shape=box style=filled]
	85 -> "143 | C=O" [label=""]
	"144 | NC1=N[C@H](c2ccc(F)cc2F)[C@@H](C=O)CS1" [color=lightgrey shape=box style=filled]
	86 -> "144 | NC1=N[C@H](c2ccc(F)cc2F)[C@@H](C=O)CS1" [label=""]
	"145 | C=O" [color=lightyellow shape=box style=filled]
	86 -> "145 | C=O" [label=""]
	"146 | NC1=N[C@](CO)(c2ccc(F)cc2F)CCS1" [color=lightgrey shape=box style=filled]
	87 -> "146 | NC1=N[C@](CO)(c2ccc(F)cc2F)CCS1" [label=""]
	"147 | C=O" [color=lightyellow shape=box style=filled]
	87 -> "147 | C=O" [label=""]
	"148 | NC1=N[C@@](c2ccc(F)cc2F)(C(O)O)[C@@H](CO)CS1" [color=lightgrey shape=box style=filled]
	88 -> "148 | NC1=N[C@@](c2ccc(F)cc2F)(C(O)O)[C@@H](CO)CS1" [label=""]
	"149 | N=C(N)SCCCC(=O)c1nnco1" [color=lightgrey shape=box style=filled]
	89 -> "149 | N=C(N)SCCCC(=O)c1nnco1" [label=""]
	"150 | O=C(CO)c1ccc(F)cc1F" [color=lightyellow shape=box style=filled]
	89 -> "150 | O=C(CO)c1ccc(F)cc1F" [label=""]
	"151 | O=C(CBr)c1ccc(F)cc1F" [color=lightyellow shape=box style=filled]
	90 -> "151 | O=C(CBr)c1ccc(F)cc1F" [label=""]
	"152 | N=C(N)SCCC[C@@H](O)c1nnco1" [color=lightgrey shape=box style=filled]
	90 -> "152 | N=C(N)SCCC[C@@H](O)c1nnco1" [label=""]
	"153 | N=C(N)SCCCCc1nnco1" [color=lightgrey shape=box style=filled]
	91 -> "153 | N=C(N)SCCCCc1nnco1" [label=""]
	"154 | O=C(c1ccc(F)cc1F)C(O)Br" [color=lightgrey shape=box style=filled]
	91 -> "154 | O=C(c1ccc(F)cc1F)C(O)Br" [label=""]
	"155 | N=C(N)SCCCCc1nnco1" [color=lightgrey shape=box style=filled]
	92 -> "155 | N=C(N)SCCCCc1nnco1" [label=""]
	"156 | O=C(c1ccc(F)cc1F)C(O)Cl" [color=lightgrey shape=box style=filled]
	92 -> "156 | O=C(c1ccc(F)cc1F)C(O)Cl" [label=""]
	"157 | CO[C@H](CCCSC(=N)N)c1nnco1" [color=lightgrey shape=box style=filled]
	93 -> "157 | CO[C@H](CCCSC(=N)N)c1nnco1" [label=""]
	"158 | O=C(Cl)c1ccc(F)cc1F" [color=lightyellow shape=box style=filled]
	93 -> "158 | O=C(Cl)c1ccc(F)cc1F" [label=""]
	"159 | O=C(O)c1ccc(F)cc1F" [color=lightyellow shape=box style=filled]
	94 -> "159 | O=C(O)c1ccc(F)cc1F" [label=""]
	"160 | CO[C@H](CCCSC(=N)N)c1nnco1" [color=lightgrey shape=box style=filled]
	94 -> "160 | CO[C@H](CCCSC(=N)N)c1nnco1" [label=""]
	"161 | N=C(N)SCCCCc1nnco1" [color=lightgrey shape=box style=filled]
	95 -> "161 | N=C(N)SCCCCc1nnco1" [label=""]
	"162 | O=C(O)C(=O)c1ccc(F)cc1F" [color=lightyellow shape=box style=filled]
	95 -> "162 | O=C(O)C(=O)c1ccc(F)cc1F" [label=""]
	"163 | N=C(N)SCCC[C@H](O)c1nnco1" [color=lightgrey shape=box style=filled]
	96 -> "163 | N=C(N)SCCC[C@H](O)c1nnco1" [label=""]
	"164 | O=C(CO)c1ccc(F)cc1F" [color=lightyellow shape=box style=filled]
	96 -> "164 | O=C(CO)c1ccc(F)cc1F" [label=""]
	"165 | N=C(N)SCCCBr" [color=lightgrey shape=box style=filled]
	97 -> "165 | N=C(N)SCCCBr" [label=""]
	"166 | O=C(COCc1nnco1)c1ccc(F)cc1F" [color=lightgrey shape=box style=filled]
	97 -> "166 | O=C(COCc1nnco1)c1ccc(F)cc1F" [label=""]
	"167 | N=C(N)SCCCCc1nnco1" [color=lightgrey shape=box style=filled]
	98 -> "167 | N=C(N)SCCCCc1nnco1" [label=""]
	"168 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	98 -> "168 | O=C1CCC(=O)N1Br" [label=""]
	"169 | O=C(CO)c1ccc(F)cc1F" [color=lightyellow shape=box style=filled]
	98 -> "169 | O=C(CO)c1ccc(F)cc1F" [label=""]
	"170 | OC[C@H](O)c1ccc(F)cc1F" [color=lightgrey shape=box style=filled]
	99 -> "170 | OC[C@H](O)c1ccc(F)cc1F" [label=""]
	"171 | N=C(N)SCCCC(=O)c1nnco1" [color=lightgrey shape=box style=filled]
	99 -> "171 | N=C(N)SCCCC(=O)c1nnco1" [label=""]
	"172 | N=C(N)SCCCCc1nnco1" [color=lightgrey shape=box style=filled]
	100 -> "172 | N=C(N)SCCCCc1nnco1" [label=""]
	"173 | O=C(O)[C@H](O)c1ccc(F)cc1F" [color=lightgrey shape=box style=filled]
	100 -> "173 | O=C(O)[C@H](O)c1ccc(F)cc1F" [label=""]
	"174 | CO[C@H](CCCSC(=N)N)c1nnco1" [color=lightgrey shape=box style=filled]
	101 -> "174 | CO[C@H](CCCSC(=N)N)c1nnco1" [label=""]
	"175 | O=Cc1ccc(F)cc1F" [color=lightyellow shape=box style=filled]
	101 -> "175 | O=Cc1ccc(F)cc1F" [label=""]
	"176 | N=C(N)SCCC[C@@H](O)c1nnco1" [color=lightgrey shape=box style=filled]
	102 -> "176 | N=C(N)SCCC[C@@H](O)c1nnco1" [label=""]
	"177 | OC[C@H](O)c1ccc(F)cc1F" [color=lightgrey shape=box style=filled]
	102 -> "177 | OC[C@H](O)c1ccc(F)cc1F" [label=""]
	"178 | N=C(N)SCCCCc1nnco1" [color=lightgrey shape=box style=filled]
	103 -> "178 | N=C(N)SCCCCc1nnco1" [label=""]
	"179 | OC(O)[C@H](O)c1ccc(F)cc1F" [color=lightgrey shape=box style=filled]
	103 -> "179 | OC(O)[C@H](O)c1ccc(F)cc1F" [label=""]
	"180 | Fc1ccc(Br)c(F)c1" [color=lightyellow shape=box style=filled]
	104 -> "180 | Fc1ccc(Br)c(F)c1" [label=""]
	"181 | N=C(N)SCCC[C@@H](OCCO)c1nnco1" [color=lightgrey shape=box style=filled]
	104 -> "181 | N=C(N)SCCC[C@@H](OCCO)c1nnco1" [label=""]
	"182 | OCCC[C@@H](OC[C@H](O)c1ccc(F)cc1F)c1nnco1" [color=lightgrey shape=box style=filled]
	105 -> "182 | OCCC[C@@H](OC[C@H](O)c1ccc(F)cc1F)c1nnco1" [label=""]
	"183 | N=C(N)S" [color=lightyellow shape=box style=filled]
	105 -> "183 | N=C(N)S" [label=""]
	"184 | O=C(O)c1ccc(F)cc1F" [color=lightyellow shape=box style=filled]
	106 -> "184 | O=C(O)c1ccc(F)cc1F" [label=""]
	"185 | CO[C@H](CCCSC(=N)N)c1nnco1" [color=lightgrey shape=box style=filled]
	106 -> "185 | CO[C@H](CCCSC(=N)N)c1nnco1" [label=""]
	"186 | O[C@@H](CO[C@H](CCCBr)c1nnco1)c1ccc(F)cc1F" [color=lightgrey shape=box style=filled]
	107 -> "186 | O[C@@H](CO[C@H](CCCBr)c1nnco1)c1ccc(F)cc1F" [label=""]
	"187 | N=C(N)S" [color=lightyellow shape=box style=filled]
	107 -> "187 | N=C(N)S" [label=""]
	"188 | N=C(N)SCCCCc1nnco1" [color=lightgrey shape=box style=filled]
	108 -> "188 | N=C(N)SCCCCc1nnco1" [label=""]
	"189 | OCCO" [color=lightyellow shape=box style=filled]
	108 -> "189 | OCCO" [label=""]
	"190 | Fc1ccc(Br)c(F)c1" [color=lightyellow shape=box style=filled]
	108 -> "190 | Fc1ccc(Br)c(F)c1" [label=""]
	109 [color=aquamarine shape=rarrow style=filled]
	"17 | NC1=N[C@@H](CO)[C@@H](CC(=O)c2nnco2)CS1" -> 109 [label=0.000]
	110 [color=aquamarine shape=rarrow style=filled]
	"17 | NC1=N[C@@H](CO)[C@@H](CC(=O)c2nnco2)CS1" -> 110 [label=0.000]
	111 [color=aquamarine shape=rarrow style=filled]
	"17 | NC1=N[C@@H](CO)[C@@H](CC(=O)c2nnco2)CS1" -> 111 [label=0.000]
	112 [color=aquamarine shape=rarrow style=filled]
	"17 | NC1=N[C@@H](CO)[C@@H](CC(=O)c2nnco2)CS1" -> 112 [label=0.000]
	113 [color=aquamarine shape=rarrow style=filled]
	"17 | NC1=N[C@@H](CO)[C@@H](CC(=O)c2nnco2)CS1" -> 113 [label=0.000]
	114 [color=aquamarine shape=rarrow style=filled]
	"17 | NC1=N[C@@H](CO)[C@@H](CC(=O)c2nnco2)CS1" -> 114 [label=0.000]
	115 [color=aquamarine shape=rarrow style=filled]
	"17 | NC1=N[C@@H](CO)[C@@H](CC(=O)c2nnco2)CS1" -> 115 [label=0.000]
	116 [color=aquamarine shape=rarrow style=filled]
	"17 | NC1=N[C@@H](CO)[C@@H](CC(=O)c2nnco2)CS1" -> 116 [label=0.000]
	117 [color=aquamarine shape=rarrow style=filled]
	"17 | NC1=N[C@@H](CO)[C@@H](CC(=O)c2nnco2)CS1" -> 117 [label=0.000]
	118 [color=aquamarine shape=rarrow style=filled]
	"17 | NC1=N[C@@H](CO)[C@@H](CC(=O)c2nnco2)CS1" -> 118 [label=0.000]
	119 [color=aquamarine shape=rarrow style=filled]
	"18 | NC1=N[C@@H](CO)[C@@H](C[C@H](O)c2nnco2)CS1" -> 119 [label=0.000]
	120 [color=aquamarine shape=rarrow style=filled]
	"18 | NC1=N[C@@H](CO)[C@@H](C[C@H](O)c2nnco2)CS1" -> 120 [label=0.000]
	121 [color=aquamarine shape=rarrow style=filled]
	"18 | NC1=N[C@@H](CO)[C@@H](C[C@H](O)c2nnco2)CS1" -> 121 [label=0.000]
	122 [color=aquamarine shape=rarrow style=filled]
	"18 | NC1=N[C@@H](CO)[C@@H](C[C@H](O)c2nnco2)CS1" -> 122 [label=0.000]
	123 [color=aquamarine shape=rarrow style=filled]
	"18 | NC1=N[C@@H](CO)[C@@H](C[C@H](O)c2nnco2)CS1" -> 123 [label=0.000]
	124 [color=aquamarine shape=rarrow style=filled]
	"18 | NC1=N[C@@H](CO)[C@@H](C[C@H](O)c2nnco2)CS1" -> 124 [label=0.000]
	125 [color=aquamarine shape=rarrow style=filled]
	"18 | NC1=N[C@@H](CO)[C@@H](C[C@H](O)c2nnco2)CS1" -> 125 [label=0.000]
	126 [color=aquamarine shape=rarrow style=filled]
	"18 | NC1=N[C@@H](CO)[C@@H](C[C@H](O)c2nnco2)CS1" -> 126 [label=0.000]
	127 [color=aquamarine shape=rarrow style=filled]
	"18 | NC1=N[C@@H](CO)[C@@H](C[C@H](O)c2nnco2)CS1" -> 127 [label=0.000]
	128 [color=aquamarine shape=rarrow style=filled]
	"18 | NC1=N[C@@H](CO)[C@@H](C[C@H](O)c2nnco2)CS1" -> 128 [label=0.000]
	129 [color=aquamarine shape=rarrow style=filled]
	"20 | NC1=N[C@H]2COCC[C@H]2CS1" -> 129 [label=0.000]
	130 [color=aquamarine shape=rarrow style=filled]
	"20 | NC1=N[C@H]2COCC[C@H]2CS1" -> 130 [label=0.000]
	131 [color=aquamarine shape=rarrow style=filled]
	"20 | NC1=N[C@H]2COCC[C@H]2CS1" -> 131 [label=0.000]
	132 [color=aquamarine shape=rarrow style=filled]
	"20 | NC1=N[C@H]2COCC[C@H]2CS1" -> 132 [label=0.000]
	133 [color=aquamarine shape=rarrow style=filled]
	"20 | NC1=N[C@H]2COCC[C@H]2CS1" -> 133 [label=0.000]
	134 [color=aquamarine shape=rarrow style=filled]
	"20 | NC1=N[C@H]2COCC[C@H]2CS1" -> 134 [label=0.000]
	135 [color=lightblue shape=rarrow style=filled]
	"20 | NC1=N[C@H]2COCC[C@H]2CS1" -> 135 [label=0.000]
	136 [color=aquamarine shape=rarrow style=filled]
	"20 | NC1=N[C@H]2COCC[C@H]2CS1" -> 136 [label=0.000]
	137 [color=aquamarine shape=rarrow style=filled]
	"20 | NC1=N[C@H]2COCC[C@H]2CS1" -> 137 [label=0.000]
	138 [color=aquamarine shape=rarrow style=filled]
	"20 | NC1=N[C@H]2COCC[C@H]2CS1" -> 138 [label=0.000]
	"191 | O=C(O)c1nnco1" [color=lightyellow shape=box style=filled]
	109 -> "191 | O=C(O)c1nnco1" [label=""]
	"192 | C[C@H]1CSC(N)=N[C@H]1CO" [color=lightgrey shape=box style=filled]
	109 -> "192 | C[C@H]1CSC(N)=N[C@H]1CO" [label=""]
	"193 | O=C(CCl)c1nnco1" [color=lightgrey shape=box style=filled]
	110 -> "193 | O=C(CCl)c1nnco1" [label=""]
	"194 | NC1=N[C@@H](CO)CCS1" [color=lightgrey shape=box style=filled]
	110 -> "194 | NC1=N[C@@H](CO)CCS1" [label=""]
	"195 | NC1=N[C@@H](CO)[C@@H](CC(=O)O)CS1" [color=lightgrey shape=box style=filled]
	111 -> "195 | NC1=N[C@@H](CO)[C@@H](CC(=O)O)CS1" [label=""]
	"196 | c1nnco1" [color=lightyellow shape=box style=filled]
	111 -> "196 | c1nnco1" [label=""]
	"197 | CC(=O)c1nnco1" [color=lightgrey shape=box style=filled]
	112 -> "197 | CC(=O)c1nnco1" [label=""]
	"198 | NC1=N[C@@H](CO)C(=O)CS1" [color=lightgrey shape=box style=filled]
	112 -> "198 | NC1=N[C@@H](CO)C(=O)CS1" [label=""]
	"199 | O=CC(=O)c1nnco1" [color=lightgrey shape=box style=filled]
	113 -> "199 | O=CC(=O)c1nnco1" [label=""]
	"200 | NC1=N[C@@H](CO)CCS1" [color=lightgrey shape=box style=filled]
	113 -> "200 | NC1=N[C@@H](CO)CCS1" [label=""]
	"201 | O=C(CBr)c1nnco1" [color=lightgrey shape=box style=filled]
	114 -> "201 | O=C(CBr)c1nnco1" [label=""]
	"202 | NC1=N[C@@H](CO)CCS1" [color=lightgrey shape=box style=filled]
	114 -> "202 | NC1=N[C@@H](CO)CCS1" [label=""]
	"203 | CC(=O)c1nnco1" [color=lightgrey shape=box style=filled]
	115 -> "203 | CC(=O)c1nnco1" [label=""]
	"204 | NC1=N[C@@H](CO)[C@@H](O)CS1" [color=lightgrey shape=box style=filled]
	115 -> "204 | NC1=N[C@@H](CO)[C@@H](O)CS1" [label=""]
	"205 | NC1=N[C@@H](CO)[C@@H](C=O)CS1" [color=lightgrey shape=box style=filled]
	116 -> "205 | NC1=N[C@@H](CO)[C@@H](C=O)CS1" [label=""]
	"206 | O=C(O)c1nnco1" [color=lightyellow shape=box style=filled]
	116 -> "206 | O=C(O)c1nnco1" [label=""]
	"207 | NC1=N[C@@H](CO)[C@@H](C=O)CS1" [color=lightgrey shape=box style=filled]
	117 -> "207 | NC1=N[C@@H](CO)[C@@H](C=O)CS1" [label=""]
	"208 | O=Cc1nnco1" [color=lightyellow shape=box style=filled]
	117 -> "208 | O=Cc1nnco1" [label=""]
	"209 | CC(=O)c1nnco1" [color=lightgrey shape=box style=filled]
	118 -> "209 | CC(=O)c1nnco1" [label=""]
	"210 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	118 -> "210 | O=C1CCC(=O)N1Br" [label=""]
	"211 | NC1=N[C@@H](CO)CCS1" [color=lightgrey shape=box style=filled]
	118 -> "211 | NC1=N[C@@H](CO)CCS1" [label=""]
	"212 | O=Cc1nnco1" [color=lightyellow shape=box style=filled]
	119 -> "212 | O=Cc1nnco1" [label=""]
	"213 | C[C@H]1CSC(N)=N[C@H]1CO" [color=lightgrey shape=box style=filled]
	119 -> "213 | C[C@H]1CSC(N)=N[C@H]1CO" [label=""]
	"214 | NC1=N[C@@H](CO)[C@@H](C=O)CS1" [color=lightgrey shape=box style=filled]
	120 -> "214 | NC1=N[C@@H](CO)[C@@H](C=O)CS1" [label=""]
	"215 | OCc1nnco1" [color=lightyellow shape=box style=filled]
	120 -> "215 | OCc1nnco1" [label=""]
	"216 | O=C(O)c1nnco1" [color=lightyellow shape=box style=filled]
	121 -> "216 | O=C(O)c1nnco1" [label=""]
	"217 | C[C@H]1CSC(N)=N[C@H]1CO" [color=lightgrey shape=box style=filled]
	121 -> "217 | C[C@H]1CSC(N)=N[C@H]1CO" [label=""]
	"218 | NC1=N[C@@H](CO)[C@@H](CO)CS1" [color=lightgrey shape=box style=filled]
	122 -> "218 | NC1=N[C@@H](CO)[C@@H](CO)CS1" [label=""]
	"219 | OCc1nnco1" [color=lightyellow shape=box style=filled]
	122 -> "219 | OCc1nnco1" [label=""]
	"220 | Brc1nnco1" [color=lightyellow shape=box style=filled]
	123 -> "220 | Brc1nnco1" [label=""]
	"221 | NC1=N[C@@H](CO)[C@@H](CCO)CS1" [color=lightgrey shape=box style=filled]
	123 -> "221 | NC1=N[C@@H](CO)[C@@H](CCO)CS1" [label=""]
	"222 | NC1=N[C@@H](CO)[C@@H](C=O)CS1" [color=lightgrey shape=box style=filled]
	124 -> "222 | NC1=N[C@@H](CO)[C@@H](C=O)CS1" [label=""]
	"223 | O=Cc1nnco1" [color=lightyellow shape=box style=filled]
	124 -> "223 | O=Cc1nnco1" [label=""]
	"224 | OCc1nnco1" [color=lightyellow shape=box style=filled]
	125 -> "224 | OCc1nnco1" [label=""]
	"225 | C=C1CSC(N)=N[C@H]1CO" [color=lightgrey shape=box style=filled]
	125 -> "225 | C=C1CSC(N)=N[C@H]1CO" [label=""]
	"226 | NC1=N[C@@H](CO)[C@@H](CC=O)CS1" [color=lightgrey shape=box style=filled]
	126 -> "226 | NC1=N[C@@H](CO)[C@@H](CC=O)CS1" [label=""]
	"227 | c1nnco1" [color=lightyellow shape=box style=filled]
	126 -> "227 | c1nnco1" [label=""]
	"228 | OC[C@H](O)c1nnco1" [color=lightgrey shape=box style=filled]
	127 -> "228 | OC[C@H](O)c1nnco1" [label=""]
	"229 | NC1=N[C@@H](CO)CCS1" [color=lightgrey shape=box style=filled]
	127 -> "229 | NC1=N[C@@H](CO)CCS1" [label=""]
	"230 | NC1=N[C@@H](CO)[C@@H](C=CO)CS1" [color=lightgrey shape=box style=filled]
	128 -> "230 | NC1=N[C@@H](CO)[C@@H](C=CO)CS1" [label=""]
	"231 | c1nnco1" [color=lightyellow shape=box style=filled]
	128 -> "231 | c1nnco1" [label=""]
	"232 | NC1=N[C@@H](CO)[C@@H](CCBr)CS1" [color=lightgrey shape=box style=filled]
	129 -> "232 | NC1=N[C@@H](CO)[C@@H](CCBr)CS1" [label=""]
	"233 | NC1=N[C@@H](COCCBr)CCS1" [color=lightgrey shape=box style=filled]
	130 -> "233 | NC1=N[C@@H](COCCBr)CCS1" [label=""]
	"234 | NC1=N[C@@H](CBr)[C@@H](CCO)CS1" [color=lightgrey shape=box style=filled]
	131 -> "234 | NC1=N[C@@H](CBr)[C@@H](CCO)CS1" [label=""]
	"235 | CSC(N)=N[C@H]1COCCC1=O" [color=lightgrey shape=box style=filled]
	132 -> "235 | CSC(N)=N[C@H]1COCCC1=O" [label=""]
	"236 | NC1=N[C@@H](CO)[C@@H](CCO)CS1" [color=lightgrey shape=box style=filled]
	133 -> "236 | NC1=N[C@@H](CO)[C@@H](CCO)CS1" [label=""]
	"237 | NC1=N[C@@H](CO)[C@@H](CCCl)CS1" [color=lightgrey shape=box style=filled]
	134 -> "237 | NC1=N[C@@H](CO)[C@@H](CCCl)CS1" [label=""]
	"238 | CSC(N)=O" [color=lightyellow shape=box style=filled]
	135 -> "238 | CSC(N)=O" [label=""]
	"239 | N[C@@H]1CCCOC1" [color=lightyellow shape=box style=filled]
	135 -> "239 | N[C@@H]1CCCOC1" [label=""]
	"240 | NC(S)=N[C@H]1COCC[C@H]1CO" [color=lightgrey shape=box style=filled]
	136 -> "240 | NC(S)=N[C@H]1COCC[C@H]1CO" [label=""]
	"241 | NC(S)=N[C@H]1COCC[C@H]1CBr" [color=lightgrey shape=box style=filled]
	137 -> "241 | NC(S)=N[C@H]1COCC[C@H]1CBr" [label=""]
	"242 | C[C@@H]1N=C(N)SC[C@@H]1C" [color=lightgrey shape=box style=filled]
	138 -> "242 | C[C@@H]1N=C(N)SC[C@@H]1C" [label=""]
	"243 | OCBr" [color=lightgrey shape=box style=filled]
	138 -> "243 | OCBr" [label=""]
}
